General Information of the Compound
| Compound ID |
CP0465996
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| Compound Name |
3-(4-((3,5-bis(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)methyl)-N-methylbenzamido)propanoic acid
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| Structure |
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| Formula |
C29H23F6N3O5
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| Molecular Weight |
607.507
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| Canonical SMILES |
CN(CCC(O)=O)C(=O)c1ccc(Cn2nc(cc2-c2ccc(OC(F)(F)F)cc2)-c2ccc(OC(F)(F)F)cc2)cc1
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| InChI |
InChI=1S/C29H23F6N3O5/c1-37(15-14-26(39)40)27(41)21-4-2-18(3-5-21)17-38-25(20-8-12-23(13-9-20)43-29(33,34)35)16-24(36-38)19-6-10-22(11-7-19)42-28(30,31)32/h2-13,16H,14-15,17H2,1H3,(H,39,40)
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| InChIKey |
QQONWYNNVABKJM-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound